SCHEMBL10454524

SCHEMBL10454524

O=C(c1ccccc1)c1ccc(O[C@H]2CC[C@H](C(=O)O)C2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ ELANE P08246 2/20 0.43
▸ RORC P51449 5/20 0.41
▸ KMO O15229 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ VCAM1 P19320 1/20 0.39
▸ SRD5A2 P31213 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ POLB P06746 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10454503 0.85 OPRM1 (0.47) ELANEGAACYP1A2CYP2D6HPGD
SCHEMBL10455756 0.85 ELANE (0.42) ELANERORCKMOGAAFFAR4
SCHEMBL9765552 0.81 RORC (0.41) ELANERORCPDE4APDE4BPDE4C
SCHEMBL10455483 0.81 RORC (0.41) ELANERORCPDE4APDE4BPDE4C
SCHEMBL10455781 0.80 ELANE (0.57) EPHX2ELANEGAAFFAR4POLB
SCHEMBL10455806 0.80 ELANE (0.45) EPHX2ELANEGAAFFAR4POLB
SCHEMBL10455807 0.78 GRIK1 (0.41) —
SCHEMBL10454520 0.77 ACSL1 (0.43) ELANECYP1A2CYP2D6HPGDCYP2C19
SCHEMBL10455456 0.77 KMT2A (0.44) ELANERORCHPGDPDE4APDE4B
SCHEMBL10454525 0.77 KMT2A (0.53) EPHX2ELANEPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210772-B1 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 — — EP claimed
EP-0210772-A2 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1987-02-04 — — EP claimed
EP-0210772-B1 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 — — EP disclosed
US-4916147-A 3-[(4-Aroyl) phenoxy (or phenylthio)]-cyclopentanecarboxylic acid analogues and treatment of cerebral edema therewith ONO PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 — — US disclosed
EP-0210772-A2 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1987-02-04 — — EP disclosed
Send feedback